N,N,3-triphenyl-2-(2-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)quinoxalin-6-amine

C50H32N4S — CID 164829405

About N,N,3-triphenyl-2-(2-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)quinoxalin-6-amine

N,N,3-triphenyl-2-(2-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)quinoxalin-6-amine (PubChem CID 164829405) has the molecular formula C50H32N4S and a molecular weight of 720.90 g/mol. Its IUPAC name is N,N,3-triphenyl-2-(2-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: N,N,3-triphenyl-2-(2-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)quinoxalin-6-amine
• PubChem CID: 164829405
• Molecular Formula: C50H32N4S
• Molecular Weight: 720.90 g/mol
• Exact Mass: 720.23
• IUPAC Name: N,N,3-triphenyl-2-(2-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)quinoxalin-6-amine
• SMILES: c1ccc(-c2ccc3c(c2)c2c4sc5ccccc5c4ccc2n3-c2nc3ccc(N(c4ccccc4)c4ccccc4)cc3nc2-c2ccccc2)cc1
• InChI: InChI=1S/C50H32N4S/c1-5-15-33(16-6-1)35-25-29-44-41(31-35)47-45(30-27-40-39-23-13-14-24-46(39)55-49(40)47)54(44)50-48(34-17-7-2-8-18-34)51-43-32-38(26-28-42(43)52-50)53(36-19-9-3-10-20-36)37-21-11-4-12-22-37/h1-32H
• InChIKey: PRRAJBPNMJTFLJ-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 33.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.90
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,N,3-triphenyl-2-(2-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)quinoxalin-6-amine?

The IUPAC name of N,N,3-triphenyl-2-(2-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)quinoxalin-6-amine (CID 164829405) is N,N,3-triphenyl-2-(2-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)quinoxalin-6-amine.

What is the SMILES notation for N,N,3-triphenyl-2-(2-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)quinoxalin-6-amine?

The canonical SMILES for N,N,3-triphenyl-2-(2-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)quinoxalin-6-amine is c1ccc(-c2ccc3c(c2)c2c4sc5ccccc5c4ccc2n3-c2nc3ccc(N(c4ccccc4)c4ccccc4)cc3nc2-c2ccccc2)cc1.

What is the InChIKey of N,N,3-triphenyl-2-(2-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)quinoxalin-6-amine?

The InChIKey is PRRAJBPNMJTFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4S/c1-5-15-33(16-6-1)35-25-29-44-41(31-35)47-45(30-27-40-39-23-13-14-24-46(39)55-49(40)47)54(44)50-48(34-17-7-2-8-18-34)51-43-32-38(26-28-42(43)52-50)53(36-19-9-3-10-20-36)37-21-11-4-12-22-37/h1-32H.

What are the key properties of N,N,3-triphenyl-2-(2-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)quinoxalin-6-amine?

N,N,3-triphenyl-2-(2-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)quinoxalin-6-amine has a molecular weight of 720.90 g/mol, XLogP of 13.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,3-triphenyl-2-(2-phenyl-[1]benzothiolo[3,2-c]carbazol-5-yl)quinoxalin-6-amine is sourced from PubChem (CID 164829405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).